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586-42-5

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586-42-5 Usage

Description

3-Acetylbenzoic acid, a white to light brown crystalline powder, is an organic compound with the molecular formula C9H8O3. It is a derivative of benzoic acid, featuring an acetyl group attached to the third carbon of the benzene ring. 3-ACETYLBENZOIC ACID is known for its chemical properties and versatile applications across different industries.

Uses

Used in Chemical Synthesis:
3-Acetylbenzoic acid is used as a key intermediate in the synthesis of various organic compounds. Its reactivity and functional groups make it a valuable building block for creating a range of products.
Used in Pharmaceutical Industry:
3-Acetylbenzoic acid is used as a starting material for the production of pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Preparation of 3-(2-hydroxyethyl)benzyl alcohol:
3-Acetylbenzoic acid is used as a precursor in the preparation of 3-(2-hydroxyethyl)benzyl alcohol, a compound with potential applications in the chemical and pharmaceutical industries.
Used in Preparation of Methyl 3-acetylbenzoate:
3-Acetylbenzoic acid is also utilized in the synthesis of methyl 3-acetylbenzoate, which can be employed in the fragrance industry and as a chemical intermediate for further reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 586-42-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 6 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 586-42:
(5*5)+(4*8)+(3*6)+(2*4)+(1*2)=85
85 % 10 = 5
So 586-42-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)/p-1

586-42-5 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (B25616)  3-Acetylbenzoic acid, 98%   

  • 586-42-5

  • 1g

  • 729.0CNY

  • Detail
  • Alfa Aesar

  • (B25616)  3-Acetylbenzoic acid, 98%   

  • 586-42-5

  • 5g

  • 3028.0CNY

  • Detail

586-42-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Acetophenonecarboxylic Acid

1.2 Other means of identification

Product number -
Other names Benzoic acid, 3-acetyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:586-42-5 SDS

586-42-5Relevant articles and documents

Palladium aminopyridine complexes catalyzed selective benzylic C-H oxidations with peracetic acid

Bryliakov, Konstantin P.,Lubov, Dmitry P.,Lyakin, Oleg Yu.,Rybalova, Tatyana V.,Samsonenko, Denis G.,Talsi, Evgenii P.

supporting information, p. 11150 - 11156 (2020/09/02)

Four palladium(ii) complexes with tripodal ligands of the tpa family (tpa = tris(2-pyridylmethyl)amine) have been synthesized and X-ray characterized. These complexes efficiently catalyze benzylic C-H oxidation of various substrates with peracetic acid, affording the corresponding ketones in high yields (up to 100%), at 1 mol% catalyst loadings. Complex [(tpa)Pd(OAc)](PF6) with the least sterically demanding ligand tpa demonstrates the highest substrate conversions and ketone selectivities. Preliminary mechanistic data provide evidence in favor of metal complex-mediated rate-limiting benzylic C-H bond cleavage by an electron-deficient oxidant.

Visible-Light-Driven Carboxylation of Aryl Halides by the Combined Use of Palladium and Photoredox Catalysts

Shimomaki, Katsuya,Murata, Kei,Martin, Ruben,Iwasawa, Nobuharu

supporting information, p. 9467 - 9470 (2017/07/24)

A highly useful, visible-light-driven carboxylation of aryl bromides and chlorides with CO2 was realized using a combination of Pd(OAc)2 as a carboxylation catalyst and Ir(ppy)2(dtbpy)(PF6) as a photoredox catalyst. This carboxylation reaction proceeded in high yields under 1 atm of CO2 with a variety of functionalized aryl bromides and chlorides without the necessity of using stoichiometric metallic reductants.

Oxalic acid as the: In situ carbon monoxide generator in palladium-catalyzed hydroxycarbonylation of arylhalides

Shao, Changdong,Lu, Ailan,Wang, Xiaoling,Zhou, Bo,Guan, Xiaohong,Zhang, Yanghui

supporting information, p. 5033 - 5040 (2017/07/10)

An efficient palladium-catalyzed hydroxycarbonylation reaction of arylhalides using oxalic acid as a CO source has been developed. The reaction features high safety, low catalyst loading, and a broad substrate scope, and provides a safe and tractable approach to access a variety of aromatic carboxylic acid compounds. Mechanistic studies revealed the decomposition pattern of oxalic acid.

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